bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium

C19H24N5O7+ — CID 2171729

IUPACbis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1C[NH+](Cc1ccco1)Cc1[nH]c(=O)[nH]c1C(=O)OCC
InChIInChI=1S/C19H23N5O7/c1-3-29-16(25)14-12(20-18(27)22-14)9-24(8-11-6-5-7-31-11)10-13-15(17(26)30-4-2)23-19(28)21-13/h5-7H,3-4,8-10H2,1-2H3,(H2,20,22,27)(H2,21,23,28)/p+1
InChIKeyBQJOLLGYMIOKQC-UHFFFAOYSA-O
MW434.43 g/mol
LogP-0.55
Rot. Bonds10

About bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium

bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium (PubChem CID 2171729) has the molecular formula C19H24N5O7+ and a molecular weight of 434.43 g/mol. Its IUPAC name is bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Namebis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium
PubChem CID2171729
Molecular FormulaC19H24N5O7+
Molecular Weight434.43 g/mol
Exact Mass434.17
IUPAC Namebis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1C[NH+](Cc1ccco1)Cc1[nH]c(=O)[nH]c1C(=O)OCC
InChIInChI=1S/C19H23N5O7/c1-3-29-16(25)14-12(20-18(27)22-14)9-24(8-11-6-5-7-31-11)10-13-15(17(26)30-4-2)23-19(28)21-13/h5-7H,3-4,8-10H2,1-2H3,(H2,20,22,27)(H2,21,23,28)/p+1
InChIKeyBQJOLLGYMIOKQC-UHFFFAOYSA-O
XLogP-0.55
TPSA167.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 5-0.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium?
The IUPAC name of bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium (CID 2171729) is bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium.
What is the SMILES notation for bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium?
The canonical SMILES for bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium is CCOC(=O)c1[nH]c(=O)[nH]c1C[NH+](Cc1ccco1)Cc1[nH]c(=O)[nH]c1C(=O)OCC.
What is the InChIKey of bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium?
The InChIKey is BQJOLLGYMIOKQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N5O7/c1-3-29-16(25)14-12(20-18(27)22-14)9-24(8-11-6-5-7-31-11)10-13-15(17(26)30-4-2)23-19(28)21-13/h5-7H,3-4,8-10H2,1-2H3,(H2,20,22,27)(H2,21,23,28)/p+1.
What are the key properties of bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium?
bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium has a molecular weight of 434.43 g/mol, XLogP of -0.55, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 2171729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).